Organooxygen compounds
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Methyl DL-Mandelate 98.0+%, TCI America™
CAS: 4358-87-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004493 InChI Key: ITATYELQCJRCCK-UHFFFAOYNA-N Synonym: methyl mandelate,methyl dl-mandelate,mandelic acid, methyl ester,methyl phenylglycolate,methyl hydroxy phenyl acetate,+/--methyl mandelate,mandelic acid methyl ester,dl-mandelic acid methyl ester,dl-mandelic acid, methyl ester,methyl 2-hydroxy-2-phenyl-acetate PubChem CID: 78066 IUPAC Name: methyl 2-hydroxy-2-phenylacetate SMILES: COC(=O)C(O)C1=CC=CC=C1
| PubChem CID | 78066 |
|---|---|
| CAS | 4358-87-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00004493 |
| SMILES | COC(=O)C(O)C1=CC=CC=C1 |
| Synonym | methyl mandelate,methyl dl-mandelate,mandelic acid, methyl ester,methyl phenylglycolate,methyl hydroxy phenyl acetate,+/--methyl mandelate,mandelic acid methyl ester,dl-mandelic acid methyl ester,dl-mandelic acid, methyl ester,methyl 2-hydroxy-2-phenyl-acetate |
| IUPAC Name | methyl 2-hydroxy-2-phenylacetate |
| InChI Key | ITATYELQCJRCCK-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
1H,1H,2H,2H,3H,3H-Tridecafluoro-1-nonanol 98.0+%, TCI America™
CAS: 80806-68-4 Molecular Formula: C9H7F13O Molecular Weight (g/mol): 378.133 MDL Number: MFCD00077578 InChI Key: HMGDEQANNRNNKX-UHFFFAOYSA-N Synonym: 3-(Perfluorohexyl)propanol PubChem CID: 2776181 IUPAC Name: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
| PubChem CID | 2776181 |
|---|---|
| CAS | 80806-68-4 |
| Molecular Weight (g/mol) | 378.133 |
| MDL Number | MFCD00077578 |
| SMILES | C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO |
| Synonym | 3-(Perfluorohexyl)propanol |
| IUPAC Name | 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol |
| InChI Key | HMGDEQANNRNNKX-UHFFFAOYSA-N |
| Molecular Formula | C9H7F13O |
2,2-Dimethyl-1-propanol 98.0+%, TCI America™
CAS: 75-84-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004682 InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N Synonym: neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol PubChem CID: 6404 IUPAC Name: 2,2-dimethylpropan-1-ol SMILES: CC(C)(C)CO
| PubChem CID | 6404 |
|---|---|
| CAS | 75-84-3 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00004682 |
| SMILES | CC(C)(C)CO |
| Synonym | neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol |
| IUPAC Name | 2,2-dimethylpropan-1-ol |
| InChI Key | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
4-Methyl-4-heptanol 98.0+%, TCI America™
CAS: 598-01-6 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00021840 InChI Key: IQXKGRKRIRMQCQ-UHFFFAOYSA-N PubChem CID: 136394 IUPAC Name: 4-methylheptan-4-ol SMILES: CCCC(C)(CCC)O
| PubChem CID | 136394 |
|---|---|
| CAS | 598-01-6 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00021840 |
| SMILES | CCCC(C)(CCC)O |
| IUPAC Name | 4-methylheptan-4-ol |
| InChI Key | IQXKGRKRIRMQCQ-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
1-Heneicosanol 98.0+%, TCI America™
CAS: 15594-90-8 Molecular Formula: C21H44O Molecular Weight (g/mol): 312.58 MDL Number: MFCD00062834 InChI Key: FIPPFBHCBUDBRR-UHFFFAOYSA-N Synonym: 1-heneicosanol,heneicosanol,henicosanol,1-henicosanol,heneicosyl alcohol,heneicosan-1-ol,n-heneicosanol,n-henicosanol,heneicosylalkohol,henicosyl alcohol PubChem CID: 85014 ChEBI: CHEBI:78410 IUPAC Name: henicosan-1-ol SMILES: CCCCCCCCCCCCCCCCCCCCCO
| PubChem CID | 85014 |
|---|---|
| CAS | 15594-90-8 |
| Molecular Weight (g/mol) | 312.58 |
| ChEBI | CHEBI:78410 |
| MDL Number | MFCD00062834 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCO |
| Synonym | 1-heneicosanol,heneicosanol,henicosanol,1-henicosanol,heneicosyl alcohol,heneicosan-1-ol,n-heneicosanol,n-henicosanol,heneicosylalkohol,henicosyl alcohol |
| IUPAC Name | henicosan-1-ol |
| InChI Key | FIPPFBHCBUDBRR-UHFFFAOYSA-N |
| Molecular Formula | C21H44O |
4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-Oxide 98.0+%, TCI America™
CAS: 5301-78-0 Molecular Formula: C5H9O5P Molecular Weight (g/mol): 180.096 MDL Number: MFCD01677612 InChI Key: YASRHLDAFCMIPB-UHFFFAOYSA-N PubChem CID: 199942 IUPAC Name: (1-oxo-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol SMILES: C1C2(COP(=O)(O1)OC2)CO
| PubChem CID | 199942 |
|---|---|
| CAS | 5301-78-0 |
| Molecular Weight (g/mol) | 180.096 |
| MDL Number | MFCD01677612 |
| SMILES | C1C2(COP(=O)(O1)OC2)CO |
| IUPAC Name | (1-oxo-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol |
| InChI Key | YASRHLDAFCMIPB-UHFFFAOYSA-N |
| Molecular Formula | C5H9O5P |
4-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 4534-74-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00001450,MFCD00070694 InChI Key: RVTKUJWGFBADIN-UHFFFAOYSA-N Synonym: 4-ethylcyclohexanol,trans-4-ethylcyclohexanol,cyclohexanol, 4-ethyl,cis-4-ethylcyclohexanol,cyclohexanol, 4-ethyl-, trans,4-ethylcyclohexanol,c&t,4-ethylcyclohexanol mixture of cis and trans,trans-4-ethyl cyclohexanol,ethyl cyclohexanol,cyclohexanol, 4-ethyl-, mixture of cis and trans PubChem CID: 78293 IUPAC Name: 4-ethylcyclohexan-1-ol SMILES: CCC1CCC(O)CC1
| PubChem CID | 78293 |
|---|---|
| CAS | 4534-74-1 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00001450,MFCD00070694 |
| SMILES | CCC1CCC(O)CC1 |
| Synonym | 4-ethylcyclohexanol,trans-4-ethylcyclohexanol,cyclohexanol, 4-ethyl,cis-4-ethylcyclohexanol,cyclohexanol, 4-ethyl-, trans,4-ethylcyclohexanol,c&t,4-ethylcyclohexanol mixture of cis and trans,trans-4-ethyl cyclohexanol,ethyl cyclohexanol,cyclohexanol, 4-ethyl-, mixture of cis and trans |
| IUPAC Name | 4-ethylcyclohexan-1-ol |
| InChI Key | RVTKUJWGFBADIN-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
1,4-Cyclohexanediol (cis- and trans- mixture) 99.0+%, TCI America™
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1,16-Hexadecanediol 95.0+%, TCI America™
CAS: 7735-42-4 Molecular Formula: C16H34O2 Molecular Weight (g/mol): 258.45 MDL Number: MFCD00002821 InChI Key: GJBXIPOYHVMPQJ-UHFFFAOYSA-N Synonym: 1,16-Dihydroxyhexadecane, Hexadecamethylene Glycol PubChem CID: 82184 IUPAC Name: hexadecane-1,16-diol SMILES: OCCCCCCCCCCCCCCCCO
| PubChem CID | 82184 |
|---|---|
| CAS | 7735-42-4 |
| Molecular Weight (g/mol) | 258.45 |
| MDL Number | MFCD00002821 |
| SMILES | OCCCCCCCCCCCCCCCCO |
| Synonym | 1,16-Dihydroxyhexadecane, Hexadecamethylene Glycol |
| IUPAC Name | hexadecane-1,16-diol |
| InChI Key | GJBXIPOYHVMPQJ-UHFFFAOYSA-N |
| Molecular Formula | C16H34O2 |
Ethyl D-(-)-Mandelate 98.0+%, TCI America™
CAS: 10606-72-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00064248 InChI Key: SAXHIDRUJXPDOD-SECBINFHSA-N Synonym: D-(-)-Mandelic Acid Ethyl Ester PubChem CID: 6951556 ChEBI: CHEBI:78406 IUPAC Name: ethyl (2R)-2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 6951556 |
|---|---|
| CAS | 10606-72-1 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:78406 |
| MDL Number | MFCD00064248 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | D-(-)-Mandelic Acid Ethyl Ester |
| IUPAC Name | ethyl (2R)-2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-SECBINFHSA-N |
| Molecular Formula | C10H12O3 |
Polyethylene Glycol Monostearate (n=approx. 25) (palmitate and stearate mixture), TCI America™
CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
(S)-(-)-3-Chloro-1-phenyl-1-propanol 98.0+%, TCI America™
CAS: 100306-34-1 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.636 MDL Number: MFCD00013309 InChI Key: JZFUHAGLMZWKTF-VIFPVBQESA-N Synonym: s---3-chloro-1-phenyl-1-propanol,s-3-chloro-1-phenylpropan-1-ol,s-3-chloro-1-phenyl-1-propanol,1s-3-chloro-1-phenylpropan-1-ol,1s-3-chloro-1-phenyl-propan-1-ol,s-3-chloro-1-phenylpropanol,s-3-chloro-1-phenyl-propan-1-ol,pubchem6275 PubChem CID: 2777894 IUPAC Name: (1S)-3-chloro-1-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)C(CCCl)O
| PubChem CID | 2777894 |
|---|---|
| CAS | 100306-34-1 |
| Molecular Weight (g/mol) | 170.636 |
| MDL Number | MFCD00013309 |
| SMILES | C1=CC=C(C=C1)C(CCCl)O |
| Synonym | s---3-chloro-1-phenyl-1-propanol,s-3-chloro-1-phenylpropan-1-ol,s-3-chloro-1-phenyl-1-propanol,1s-3-chloro-1-phenylpropan-1-ol,1s-3-chloro-1-phenyl-propan-1-ol,s-3-chloro-1-phenylpropanol,s-3-chloro-1-phenyl-propan-1-ol,pubchem6275 |
| IUPAC Name | (1S)-3-chloro-1-phenylpropan-1-ol |
| InChI Key | JZFUHAGLMZWKTF-VIFPVBQESA-N |
| Molecular Formula | C9H11ClO |
2-Methylene-1,3-propanediol 96.0+%, TCI America™
CAS: 3513-81-3 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00075162 InChI Key: JFFYKITVXPZLQS-UHFFFAOYSA-N PubChem CID: 77048 IUPAC Name: 2-methylidenepropane-1,3-diol SMILES: C=C(CO)CO
| PubChem CID | 77048 |
|---|---|
| CAS | 3513-81-3 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00075162 |
| SMILES | C=C(CO)CO |
| IUPAC Name | 2-methylidenepropane-1,3-diol |
| InChI Key | JFFYKITVXPZLQS-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
2-(1-Naphthyl)ethanol 95.0+%, TCI America™
CAS: 773-99-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004050 InChI Key: RXWNCMHRJCOWDK-UHFFFAOYSA-N Synonym: 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol PubChem CID: 13047 IUPAC Name: 2-naphthalen-1-ylethanol SMILES: C1=CC=C2C(=C1)C=CC=C2CCO
| PubChem CID | 13047 |
|---|---|
| CAS | 773-99-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004050 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CCO |
| Synonym | 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol |
| IUPAC Name | 2-naphthalen-1-ylethanol |
| InChI Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
1-Ethylcyclohexanol 98.0+%, TCI America™
CAS: 1940-18-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00021402 InChI Key: BUCJHJXFXUZJHL-UHFFFAOYSA-N Synonym: 1-ethylcyclohexanol,cyclohexanol, 1-ethyl,unii-1ves5dbc5c,1-aethyl-cyclohexanol-1,1-ethyl-1-cyclohexanol,1ves5dbc5c,1-aethyl-cyclohexanol-1 german,ethylcyclohexanol,cyclohexanol, ethyl,1-ethyl-cyclohexan-1-ol PubChem CID: 16021 IUPAC Name: 1-ethylcyclohexan-1-ol SMILES: CCC1(O)CCCCC1
| PubChem CID | 16021 |
|---|---|
| CAS | 1940-18-7 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00021402 |
| SMILES | CCC1(O)CCCCC1 |
| Synonym | 1-ethylcyclohexanol,cyclohexanol, 1-ethyl,unii-1ves5dbc5c,1-aethyl-cyclohexanol-1,1-ethyl-1-cyclohexanol,1ves5dbc5c,1-aethyl-cyclohexanol-1 german,ethylcyclohexanol,cyclohexanol, ethyl,1-ethyl-cyclohexan-1-ol |
| IUPAC Name | 1-ethylcyclohexan-1-ol |
| InChI Key | BUCJHJXFXUZJHL-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |